Ag2BiO3
Ag2BiO3 is a stable, semiconducting ternary oxide containing silver and bismuth that is currently being studied for its unique structural and electronic properties.
About Ag2BiO3
Ag2BiO3 is a thermodynamically stable inorganic compound composed of silver, bismuth, and oxygen. As a member of the oxide family, it sits securely on the convex hull, indicating robust stability under standard conditions.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating new functional oxides. With multiple documented structural variations, it offers a versatile platform for exploring complex electronic and optical behaviors in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ag2BiO3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ag2BiO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ag2BiO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 0.40 | 0.0000 | -0.685 | — |
| Pnn2 (No. 34) | orthorhombic | 0.39 | 0.0000 | -4.987 | 8.57 |
| Pc (No. 7) | monoclinic | 0.49 | 0.0012 | -4.986 | 8.24 |
| Pnna (No. 52) | orthorhombic | 0.00 | 0.0042 | -0.681 | — |
| Pnna (No. 52) | orthorhombic | 0.00 | 0.0042 | -4.983 | 8.21 |
| — | — | 0.00 | 0.0046 | -0.781 | — |
| — | — | 1.05 | 0.0347 | -0.751 | — |
| — | — | 0.94 | 0.0450 | -0.740 | — |
| Pc (No. 7) | monoclinic | — | — | — | 8.24 |
| Pc (No. 7) | monoclinic | — | — | — | 8.58 |
| Pnn2 (No. 34) | orthorhombic | — | — | — | 8.67 |
| Pc (No. 7) | monoclinic | — | — | — | 8.80 |
Applications
Where Ag2BiO3 is used.
Frequently Asked Questions
Common questions about Ag2BiO3, answered from cross-validated data.
What is Ag2BiO3?
Ag2BiO3 is a stable, semiconducting ternary oxide containing silver and bismuth that is currently being studied for its unique structural and electronic properties.
What is Ag2BiO3 used for?
What is the band gap of Ag2BiO3?
Is Ag2BiO3 a metal, semiconductor, or insulator?
Is Ag2BiO3 thermodynamically stable?
What is the crystal structure of Ag2BiO3?
What is the density of Ag2BiO3?
How many polymorphs of Ag2BiO3 are known?
What elements does Ag2BiO3 contain?
Where does the data for Ag2BiO3 come from?
How It Compares
As a distinct ternary oxide, Ag2BiO3 represents a unique composition within the broader landscape of silver-bismuth-based materials. Its thermodynamic stability distinguishes it as a reliable candidate for experimental synthesis and characterization compared to more metastable phases in the oxide class.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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